Searched refs:isSulfoxideO (Results 1 – 1 of 1) sorted by relevance
1736 bool isSulfoxideO = false; in setMMFFHeavyAtomType() local1745 (!isNitrosoO) && (!isSulfoxideO); in setMMFFHeavyAtomType()1832 isSulfoxideO = ((bond->getBondType() == Bond::DOUBLE) && in setMMFFHeavyAtomType()1887 if (isCarbonylO || isNitrosoO || isSulfoxideO) { in setMMFFHeavyAtomType()